2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenylpyrimidine-4-carbonitrile;3,6-di(carbazol-9-yl)-9-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]carbazole;2-[2-(3,6-dimethylcarbazol-9-yl)phenyl]-6-phenylpyrimidine-4-carbonitrile;9-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]carbazole

C154H97N19 — CID 157223888

IUPAC2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenylpyrimidine-4-carbonitrile;3,6-di(carbazol-9-yl)-9-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]carbazole;2-[2-(3,6-dimethylcarbazol-9-yl)phenyl]-6-phenylpyrimidine-4-carbonitrile;9-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]carbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccccc1-c1nc(C#N)cc(-c2ccccc2)n1.N#Cc1cc(-c2ccccc2)nc(-c2ccccc2-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)n1.[C-]#[N+]c1cc(-c2ccccc2)nc(-c2ccccc2-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)n1.[C-]#[N+]c1cc(-c2ccccc2)nc(-c2ccccc2-n2c3ccccc3c3ccccc32)n1
InChIInChI=1S/C53H32N6.C41H25N5.C31H22N4.C29H18N4/c1-54-52-33-44(34-15-3-2-4-16-34)55-53(56-52)41-21-9-14-26-49(41)59-50-29-27-35(57-45-22-10-5-17-37(45)38-18-6-11-23-46(38)57)31-42(50)43-32-36(28-30-51(43)59)58-47-24-12-7-19-39(47)40-20-8-13-25-48(40)58;42-26-28-24-35(27-12-2-1-3-13-27)44-41(43-28)33-17-7-11-21-39(33)46-38-20-10-6-16-32(38)34-25-29(22-23-40(34)46)45-36-18-8-4-14-30(36)31-15-5-9-19-37(31)45;1-20-12-14-29-25(16-20)26-17-21(2)13-15-30(26)35(29)28-11-7-6-10-24(28)31-33-23(19-32)18-27(34-31)22-8-4-3-5-9-22;1-30-28-19-24(20-11-3-2-4-12-20)31-29(32-28)23-15-7-10-18-27(23)33-25-16-8-5-13-21(25)22-14-6-9-17-26(22)33/h2-33H;1-25H;3-18H,1-2H3;2-19H
InChIKeyATHUXIXPIDRZIE-UHFFFAOYSA-N
MW2213.60 g/mol
LogP38.38
Rot. Bonds15

About 2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenylpyrimidine-4-carbonitrile;3,6-di(carbazol-9-yl)-9-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]carbazole;2-[2-(3,6-dimethylcarbazol-9-yl)phenyl]-6-phenylpyrimidine-4-carbonitrile;9-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]carbazole

2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenylpyrimidine-4-carbonitrile;3,6-di(carbazol-9-yl)-9-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]carbazole;2-[2-(3,6-dimethylcarbazol-9-yl)phenyl]-6-phenylpyrimidine-4-carbonitrile;9-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]carbazole (PubChem CID 157223888) has the molecular formula C154H97N19 and a molecular weight of 2213.60 g/mol. Its IUPAC name is 2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenylpyrimidine-4-carbonitrile;3,6-di(carbazol-9-yl)-9-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]carbazole;2-[2-(3,6-dimethylcarbazol-9-yl)phenyl]-6-phenylpyrimidine-4-carbonitrile;9-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenylpyrimidine-4-carbonitrile;3,6-di(carbazol-9-yl)-9-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]carbazole;2-[2-(3,6-dimethylcarbazol-9-yl)phenyl]-6-phenylpyrimidine-4-carbonitrile;9-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]carbazole
PubChem CID157223888
Molecular FormulaC154H97N19
Molecular Weight2213.60 g/mol
Exact Mass2211.82
IUPAC Name2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenylpyrimidine-4-carbonitrile;3,6-di(carbazol-9-yl)-9-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]carbazole;2-[2-(3,6-dimethylcarbazol-9-yl)phenyl]-6-phenylpyrimidine-4-carbonitrile;9-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]carbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccccc1-c1nc(C#N)cc(-c2ccccc2)n1.N#Cc1cc(-c2ccccc2)nc(-c2ccccc2-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)n1.[C-]#[N+]c1cc(-c2ccccc2)nc(-c2ccccc2-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)n1.[C-]#[N+]c1cc(-c2ccccc2)nc(-c2ccccc2-n2c3ccccc3c3ccccc32)n1
InChIInChI=1S/C53H32N6.C41H25N5.C31H22N4.C29H18N4/c1-54-52-33-44(34-15-3-2-4-16-34)55-53(56-52)41-21-9-14-26-49(41)59-50-29-27-35(57-45-22-10-5-17-37(45)38-18-6-11-23-46(38)57)31-42(50)43-32-36(28-30-51(43)59)58-47-24-12-7-19-39(47)40-20-8-13-25-48(40)58;42-26-28-24-35(27-12-2-1-3-13-27)44-41(43-28)33-17-7-11-21-39(33)46-38-20-10-6-16-32(38)34-25-29(22-23-40(34)46)45-36-18-8-4-14-30(36)31-15-5-9-19-37(31)45;1-20-12-14-29-25(16-20)26-17-21(2)13-15-30(26)35(29)28-11-7-6-10-24(28)31-33-23(19-32)18-27(34-31)22-8-4-3-5-9-22;1-30-28-19-24(20-11-3-2-4-12-20)31-29(32-28)23-15-7-10-18-27(23)33-25-16-8-5-13-21(25)22-14-6-9-17-26(22)33/h2-33H;1-25H;3-18H,1-2H3;2-19H
InChIKeyATHUXIXPIDRZIE-UHFFFAOYSA-N
XLogP38.38
TPSA193.93 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds15
Heavy Atoms173
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002213.60
LogP ≤ 538.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenylpyrimidine-4-carbonitrile;3,6-di(carbazol-9-yl)-9-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]carbazole;2-[2-(3,6-dimethylcarbazol-9-yl)phenyl]-6-phenylpyrimidine-4-carbonitrile;9-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]carbazole with MolForge

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Related Compounds

9-[2-(4,6-diphenylpyrimidin-2-yl)-4,5-dimethylphenyl]-3-(3-methylcarbazol-9-yl)carbazole
CID 174181980
3,6-di(carbazol-9-yl)-9-[4-[2-(2-isocyanophenyl)-6-phenylpyrimidin-4-yl]phenyl]carbazole
CID 140779726
9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole-3-carbonitrile;9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-dimethylcarbazole;9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-isocyanocarbazole-3-carbonitrile;9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-methylcarbazole
CID 158292213
3-carbazol-9-yl-9-[2-(3,5-diisocyano-2-pyridinyl)phenyl]carbazole;2-(2-carbazol-9-ylphenyl)pyridine-3,5-dicarbonitrile;11-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole;10-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-xanthene];2-(2-phenoxazin-10-ylphenyl)-6-phenylpyrimidine-4-carbonitrile
CID 158887019
3-carbazol-9-yl-6-(3,6-dimethylcarbazol-9-yl)-9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 126730006
9-[2,4-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-3-carbazol-9-ylcarbazole
CID 137421093
3-carbazol-9-yl-9-[3-(4,6-diphenylpyrimidin-2-yl)-5-(2-isocyanophenyl)phenyl]carbazole
CID 140922472
3-carbazol-9-yl-9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-diphenylcarbazole;9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-isocyanocarbazole;9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-phenylcarbazole
CID 157464609
9-[4-[2,6-bis(2-isocyanophenyl)pyrimidin-4-yl]phenyl]-3,6-di(carbazol-9-yl)carbazole
CID 140779474
5-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4-isocyanobenzonitrile
CID 140779438
3-carbazol-9-yl-9-[3-(2,6-diphenylpyrimidin-4-yl)-5-(2-isocyanophenyl)phenyl]carbazole
CID 140922390
2-[4-[2,6-bis(2-isocyanophenyl)pyrimidin-4-yl]phenyl]-5-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-4-isocyanobenzonitrile
CID 140779345

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenylpyrimidine-4-carbonitrile;3,6-di(carbazol-9-yl)-9-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]carbazole;2-[2-(3,6-dimethylcarbazol-9-yl)phenyl]-6-phenylpyrimidine-4-carbonitrile;9-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]carbazole?
The IUPAC name of 2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenylpyrimidine-4-carbonitrile;3,6-di(carbazol-9-yl)-9-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]carbazole;2-[2-(3,6-dimethylcarbazol-9-yl)phenyl]-6-phenylpyrimidine-4-carbonitrile;9-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]carbazole (CID 157223888) is 2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenylpyrimidine-4-carbonitrile;3,6-di(carbazol-9-yl)-9-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]carbazole;2-[2-(3,6-dimethylcarbazol-9-yl)phenyl]-6-phenylpyrimidine-4-carbonitrile;9-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]carbazole.
What is the SMILES notation for 2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenylpyrimidine-4-carbonitrile;3,6-di(carbazol-9-yl)-9-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]carbazole;2-[2-(3,6-dimethylcarbazol-9-yl)phenyl]-6-phenylpyrimidine-4-carbonitrile;9-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]carbazole?
The canonical SMILES for 2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenylpyrimidine-4-carbonitrile;3,6-di(carbazol-9-yl)-9-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]carbazole;2-[2-(3,6-dimethylcarbazol-9-yl)phenyl]-6-phenylpyrimidine-4-carbonitrile;9-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]carbazole is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccccc1-c1nc(C#N)cc(-c2ccccc2)n1.N#Cc1cc(-c2ccccc2)nc(-c2ccccc2-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)n1.[C-]#[N+]c1cc(-c2ccccc2)nc(-c2ccccc2-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)n1.[C-]#[N+]c1cc(-c2ccccc2)nc(-c2ccccc2-n2c3ccccc3c3ccccc32)n1.
What is the InChIKey of 2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenylpyrimidine-4-carbonitrile;3,6-di(carbazol-9-yl)-9-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]carbazole;2-[2-(3,6-dimethylcarbazol-9-yl)phenyl]-6-phenylpyrimidine-4-carbonitrile;9-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]carbazole?
The InChIKey is ATHUXIXPIDRZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N6.C41H25N5.C31H22N4.C29H18N4/c1-54-52-33-44(34-15-3-2-4-16-34)55-53(56-52)41-21-9-14-26-49(41)59-50-29-27-35(57-45-22-10-5-17-37(45)38-18-6-11-23-46(38)57)31-42(50)43-32-36(28-30-51(43)59)58-47-24-12-7-19-39(47)40-20-8-13-25-48(40)58;42-26-28-24-35(27-12-2-1-3-13-27)44-41(43-28)33-17-7-11-21-39(33)46-38-20-10-6-16-32(38)34-25-29(22-23-40(34)46)45-36-18-8-4-14-30(36)31-15-5-9-19-37(31)45;1-20-12-14-29-25(16-20)26-17-21(2)13-15-30(26)35(29)28-11-7-6-10-24(28)31-33-23(19-32)18-27(34-31)22-8-4-3-5-9-22;1-30-28-19-24(20-11-3-2-4-12-20)31-29(32-28)23-15-7-10-18-27(23)33-25-16-8-5-13-21(25)22-14-6-9-17-26(22)33/h2-33H;1-25H;3-18H,1-2H3;2-19H.
What are the key properties of 2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenylpyrimidine-4-carbonitrile;3,6-di(carbazol-9-yl)-9-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]carbazole;2-[2-(3,6-dimethylcarbazol-9-yl)phenyl]-6-phenylpyrimidine-4-carbonitrile;9-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]carbazole?
2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenylpyrimidine-4-carbonitrile;3,6-di(carbazol-9-yl)-9-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]carbazole;2-[2-(3,6-dimethylcarbazol-9-yl)phenyl]-6-phenylpyrimidine-4-carbonitrile;9-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]carbazole has a molecular weight of 2213.60 g/mol, XLogP of 38.38, 15 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenylpyrimidine-4-carbonitrile;3,6-di(carbazol-9-yl)-9-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]carbazole;2-[2-(3,6-dimethylcarbazol-9-yl)phenyl]-6-phenylpyrimidine-4-carbonitrile;9-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]carbazole is sourced from PubChem (CID 157223888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).